Vitas-M small molecule compound

7'-{(E)-[1-(butan-2-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione

Catalog ID
STK575582
SMILES CCC(N1C(=NC(=O)/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)S)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C26H29N5O5S MW 523.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O5S/c1-5-14(2)31-21(33)17(20(32)27-24(31)37)12-15-8-9-18-16(11-15)13-26(19-7-6-10-30(18)19)22(34)28(3)25(36)29(4)23(26)35/h8-9,11-12,14,19H,5-7,10,13H2,1-4H3,(H,27,32,37)/b17-12+
InChIKey
AMYJJFOTOORSLI-SFQUDFHCSA-N
Synonyms
902021-33-4
(E)7((1(secbutyl)2mercapto46dioxo16dihydropyrimidin5(4H)ylidene)methyl)13dimethyl233a5tetrahydro1H1Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(3H)trione
7((E)(1(butan2yl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)13dimethyl1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trione
7((E)(1butan2yl46dioxo2sulfanylidene13diazinan5ylidene)methyl)13dimethylspiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)246trione
902021334
CCC(C)N1C(=O)C(=CC2=CC3=C(C=C2)N4CCCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)C(=O)NC1=S
CCC(N1C(=NC(=O)C(=Cc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O)S)C
InChI=1SC26H29N5O5Sc1514(2)3121(33)17(20(32)2724(31)37)1215891816(1115)1326(19761030(18)19)22(34)28(3)25(36)29(4)23(26)35h8911121419H571013H214H3(H273237)b1712+
MFCD06785544
ZINC000009252841
ZINC000009433818

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Available files

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