Vitas-M small molecule compound

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

Catalog ID
STK598535
SMILES CNC(=S)N(CCc1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)[nH]c2c1cccc2)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 C20H23N5O3S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O3S/c1-21-19(29)23(2)10-9-13-12-7-5-6-8-15(12)22-16(13)11-14-17(26)24(3)20(28)25(4)18(14)27/h5-8,11,22H,9-10H2,1-4H3,(H,21,29)
InChIKey
QQZOBPDGLZIVMB-UHFFFAOYSA-N
Synonyms

1(2(2((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)1HINDOL3YL)ETHYL)13DIMETHYLTHIOUREA
1(2(2((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol3yl)ethyl)13dimethylthiourea
CNC(=S)N(C)CCC1=C(NC2=CC=CC=C21)C=C3C(=O)N(C(=O)N(C3=O)C)C
CNC(=S)N(CCc1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)(nH)c2c1cccc2)C
InChI=1SC20H23N5O3Sc12119(29)23(2)1091312756815(12)2216(13)111417(26)24(3)20(28)25(4)18(14)27h581122H910H214H3(H2129)
MFCD07638895
ZINC000005423195
ZINC05423195
ZINC5423195

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Available files

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