Vitas-M small molecule compound

methyl 3-chloro-6-[({4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]phenyl}carbonyl)amino]-1-benzothiophene-2-carboxylate

Catalog ID
STK308501
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=O)c1ccc(cc1)Cn1cnc(n1)[N+](=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 C20H14ClN5O5S MW 471.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN5O5S/c1-31-19(28)17-16(21)14-7-6-13(8-15(14)32-17)23-18(27)12-4-2-11(3-5-12)9-25-10-22-20(24-25)26(29)30/h2-8,10H,9H2,1H3,(H,23,27)
InChIKey
ZOZHKMATGAQMNC-UHFFFAOYSA-N
Synonyms
753494-44-9
753494449
COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C=NC(=N4)(N+)(=O)(O))Cl
COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=O)c1ccc(cc1)Cn1cnc(n1)(N+)(=O)(O)
InChI=1SC20H14ClN5O5Sc13119(28)1716(21)147613(815(14)3217)2318(27)124211(3512)925102220(2425)26(29)30h2810H9H21H3(H2327)
methyl3chloro6(((4((3nitro1H124triazol1yl)methyl)phenyl)carbonyl)amino)1benzothiophene2carboxylate
METHYL3CHLORO6((4((3NITRO124TRIAZOL1YL)METHYL)BENZOYL)AMINO)1BENZOTHIOPHENE2CARBOXYLATE
MFCD04132296
ZINC000002796840
ZINC02796840
ZINC2796840

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Available files

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