Vitas-M small molecule compound

methyl 4-{3-[(E)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate

Catalog ID
STK298668
SMILES COC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=c\1/sc2n(c1=O)c1c(n2)cccc1

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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 C34H23N3O3S MW 553.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H23N3O3S/c1-40-33(39)24-16-18-26(19-17-24)36-29(22-10-4-2-5-11-22)20-25(31(36)23-12-6-3-7-13-23)21-30-32(38)37-28-15-9-8-14-27(28)35-34(37)41-30/h2-21H,1H3/b30-21+
InChIKey
IDJVSWDLCQDXOH-MWAVMZGNSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C4C(=O)N5C6=CC=CC=C6N=C5S4)C7=CC=CC=C7
COC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC34H23N3O3Sc14033(39)24161826(191724)3629(22104251122)2025(31(36)23126371323)213032(38)372815981427(28)3534(37)4130h221H1H3b3021+
methyl4(3((E)(1oxo(13)thiazolo(32a)benzimidazol2ylidene)methyl)25diphenylpyrrol1yl)benzoate
METHYL4(3((E)(3OXO(13)THIAZOLO(32A)BENZIMIDAZOL2(3H)YLIDENE)METHYL)25DIPHENYL1HPYRROL1YL)BENZOATE
MFCD05040958
ZINC000097962192
ZINC97962192

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Available files

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