Vitas-M small molecule compound
ethyl 4-methyl-2-[({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)amino]-1,3-thiazole-5-carboxylate
Catalog ID
STK010772
SMILES CCOC(=O)c1sc(nc1C)NC(=O)CSc1nnc2c(n1)n(C(C)C)c1c2cccc1
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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 C21H22N6O3S2 MW 470.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3S2/c1-5-30-19(29)17-12(4)22-20(32-17)23-15(28)10-31-21-24-18-16(25-26-21)13-8-6-7-9-14(13)27(18)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,22,23,28)InChIKey
DXFNIAIVHWPBFU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3C(C)C)N=N2)C
CCOC(=O)c1sc(nc1C)NC(=O)CSc1nnc2c(n1)n(C(C)C)c1c2cccc1
ETHYL2((((5ISOPROPYL5H(124)TRIAZINO(56B)INDOL3YL)THIO)ACETYL)AMINO)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL4METHYL2((((5(PROPAN2YL)5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETYL)AMINO)13THIAZOLE5CARBOXYLATE
ETHYL4METHYL2((2((5PROPAN2YL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETYL)AMINO)13THIAZOLE5CARBOXYLATE
InChI=1SC21H22N6O3S2c153019(29)1712(4)2220(3217)2315(28)103121241816(252621)13867914(13)27(18)11(2)3h6911H510H214H3(H222328)
MFCD03197214
STK010772
ZINC000004057118
ZINC04057118
ZINC4057118
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