Vitas-M small molecule compound
2-(2-{[(2Z)-4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2(3H)-ylidene]amino}-2-oxoethyl)benzoic acid
Catalog ID
STL252232
SMILES COc1ccc2c(c1)c(c[nH]2)c1cs/c(=N\C(=O)Cc2ccccc2C(=O)O)/[nH]1
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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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c1-28-13-6-7-17-15(9-13)16(10-22-17)18-11-29-21(23-18)24-19(25)8-12-4-2-3-5-14(12)20(26)27/h2-7,9-11,22H,8H2,1H3,(H,26,27)(H,23,24,25)InChIKey
JRPOEWQTRYNYFJ-UHFFFAOYSA-NSynonyms
1351682-30-81351682308
2(2(((2Z)4(5methoxy1Hindol3yl)13thiazol2(3H)ylidene)amino)2oxoethyl)benzoicacid
2(2((4(5methoxy1Hindol3yl)13thiazol2yl)amino)2oxoethyl)benzoicacid
COC1=CC2=C(C=C1)NC=C2C3=CSC(=N3)NC(=O)CC4=CC=CC=C4C(=O)O
COc1ccc2c(c1)c(c(nH)2)c1csc(=NC(=O)Cc2ccccc2C(=O)O)(nH)1
InChI=1SC21H17N3O4Sc12813671715(913)16(102217)18112921(2318)2419(25)812423514(12)20(26)27h2791122H8H21H3(H2627)(H232425)
MFCD24852910
ZINC000072400583
ZINC72400583
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