Vitas-M small molecule compound
methyl 3-{[(E)-(1-cyclopropyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}benzoate
Catalog ID
STL055285
SMILES COC(=O)c1cccc(c1)N/C=C/1\C(=O)N=C(N(C1=O)C1CC1)S
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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 C16H15N3O4S MW 345.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O4S/c1-23-15(22)9-3-2-4-10(7-9)17-8-12-13(20)18-16(24)19(14(12)21)11-5-6-11/h2-4,7-8,11,17H,5-6H2,1H3,(H,18,20,24)/b12-8+InChIKey
ZHIKNBVMTRSUEW-XYOKQWHBSA-NSynonyms
COC(=O)C1=CC(=CC=C1)NC=C2C(=O)NC(=S)N(C2=O)C3CC3
COC(=O)c1cccc(c1)NC=C1C(=O)N=C(N(C1=O)C1CC1)S
InChI=1SC16H15N3O4Sc12315(22)932410(79)1781213(20)1816(24)19(14(12)21)115611h24781117H56H21H3(H182024)b128+
methyl3(((E)(1cyclopropyl46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)benzoate
METHYL3(((E)(1CYCLOPROPYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
MFCD05730616
ZINC000005516491
ZINC05516491
ZINC5516491
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