Vitas-M small molecule compound
ethyl 5-({[(5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
Catalog ID
STL368422
SMILES CCOC(=O)c1sc(c(c1C)C(=O)Nc1ccccc1)NC(=O)CSc1nnc([nH]1)Cc1ccccc1
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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 C26H25N5O4S2 MW 535.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S2/c1-3-35-25(34)22-16(2)21(23(33)27-18-12-8-5-9-13-18)24(37-22)29-20(32)15-36-26-28-19(30-31-26)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3,(H,27,33)(H,29,32)(H,28,30,31)InChIKey
SJSRELFSJSTVQH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C
CCOC(=O)c1sc(c(c1C)C(=O)Nc1ccccc1)NC(=O)CSc1nnc((nH)1)Cc1ccccc1
ethyl5((((5benzyl4H124triazol3yl)sulfanyl)acetyl)amino)3methyl4(phenylcarbamoyl)thiophene2carboxylate
ETHYL5((2((5BENZYL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)3METHYL4(PHENYLCARBAMOYL)THIOPHENE2CARBOXYLATE
InChI=1SC26H25N5O4S2c133525(34)2216(2)21(23(33)2718128591318)24(3722)2920(32)1536262819(303126)1417106471117h413H31415H212H3(H2733)(H2932)(H283031)
MFCD05842652
ZINC000059627226
ZINC59627226
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