Vitas-M small molecule compound
3-[(5E)-5-(1H-indol-3-ylmethylidene)-4,6-dioxo-2-thioxotetrahydropyrimidin-1(2H)-yl]benzoic acid
Catalog ID
STK202192
SMILES S=C1NC(=O)/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1c1cccc(c1)C(=O)O
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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 C20H13N3O4S MW 391.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N3O4S/c24-17-15(9-12-10-21-16-7-2-1-6-14(12)16)18(25)23(20(28)22-17)13-5-3-4-11(8-13)19(26)27/h1-10,21H,(H,26,27)(H,22,24,28)/b15-9+InChIKey
OCVAQHHVJSQXFW-OQLLNIDSSA-NSynonyms
3((5E)5(1HINDOL3YLMETHYLIDENE)46DIOXO2SULFANYLIDENE13DIAZINAN1YL)BENZOICACID
3((5E)5(1HINDOL3YLMETHYLIDENE)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN1(2H)YL)BENZOICACID
C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O
InChI=1SC20H13N3O4Sc241715(912102116721614(12)16)18(25)23(20(28)2217)1353411(813)19(26)27h11021H(H2627)(H222428)b159+
MFCD06666690
S=C1NC(=O)C(=Cc2c(nH)c3c2cccc3)C(=O)N1c1cccc(c1)C(=O)O
ZINC000004739992
ZINC4739992
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