Vitas-M small molecule compound

methyl 4-(2,5-dimethyl-3-{(Z)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)benzoate

Catalog ID
STK157457
SMILES COC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\SC(=O)N(C1=O)Cc1cccc(c1)[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 C25H21N3O6S MW 491.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6S/c1-15-11-19(16(2)27(15)20-9-7-18(8-10-20)24(30)34-3)13-22-23(29)26(25(31)35-22)14-17-5-4-6-21(12-17)28(32)33/h4-13H,14H2,1-3H3/b22-13-
InChIKey
KHEJNTBUISSKFH-XKZIYDEJSA-N
Synonyms

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)N(C(=O)S3)CC4=CC(=CC=C4)(N+)(=O)(O)
COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC25H21N3O6Sc1151119(16(2)27(15)209718(81020)24(30)343)132223(29)26(25(31)3522)141754621(1217)28(32)33h413H14H213H3b2213
METHYL4(25DIMETHYL3((Z)(3((3NITROPHENYL)METHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PYRROL1YL)BENZOATE
METHYL4(25DIMETHYL3((Z)(3(3NITROBENZYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
MFCD03729714
ZINC000001151425
ZINC01151425
ZINC1151425

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Available files

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