Vitas-M small molecule compound

1-cyclopropyl-3-(2-{2-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-3-yl}ethyl)thiourea

Catalog ID
STL002381
SMILES S=C(NC1CC1)NCCc1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)[nH]c2c1cccc2

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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 C21H23N5O3S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S/c1-25-18(27)15(19(28)26(2)21(25)29)11-17-14(13-5-3-4-6-16(13)24-17)9-10-22-20(30)23-12-7-8-12/h3-6,11-12,24H,7-10H2,1-2H3,(H2,22,23,30)
InChIKey
KAOMWIDMUPJQOK-UHFFFAOYSA-N
Synonyms

1CYCLOPROPYL3(2(2((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)1HINDOL3YL)ETHYL)THIOUREA
1cyclopropyl3(2(2((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol3yl)ethyl)thiourea
1CYCLOPROPYL3(2(2((13DIMETHYL246TRIS(OXIDANYLIDENE)13DIAZINAN5YLIDENE)METHYL)1HINDOL3YL)ETHYL)THIOUREA
1CYCLOPROPYL3(2(2((246TRIKETO13DIMETHYLHEXAHYDROPYRIMIDIN5YLIDENE)METHYL)1HINDOL3YL)ETHYL)THIOUREA
1CYCLOPROPYL3(2(2(13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5YLIDENEMETHYL)1HINDOL3YL)ETHYL)THIOUREA
CN1C(=O)C(=CC2=C(C3=CC=CC=C3N2)CCNC(=S)NC4CC4)C(=O)N(C1=O)C
InChI=1SC21H23N5O3Sc12518(27)15(19(28)26(2)21(25)29)111714(13534616(13)2417)9102220(30)23127812h36111224H710H212H3(H2222330)
MFCD04160518
S=C(NC1CC1)NCCc1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)(nH)c2c1cccc2
ZINC000013865185
ZINC13865185

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Available files

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