Vitas-M small molecule compound
methyl 3-(2,5-dimethyl-3-{(E)-[3-(3-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)-2-methylbenzoate
Catalog ID
STK381919
SMILES COC(=O)c1cccc(c1C)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 C26H23N3O6S MW 505.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O6S/c1-15-11-19(17(3)28(15)22-10-6-9-21(16(22)2)25(31)35-4)13-23-24(30)27(26(32)36-23)14-18-7-5-8-20(12-18)29(33)34/h5-13H,14H2,1-4H3/b23-13+InChIKey
BNQCLZCYVCQUSS-YDZHTSKRSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)N(C(=O)S3)CC4=CC(=CC=C4)(N+)(=O)(O)
COC(=O)c1cccc(c1C)n1c(C)cc(c1C)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC26H23N3O6Sc1151119(17(3)28(15)22106921(16(22)2)25(31)354)132324(30)27(26(32)3623)141875820(1218)29(33)34h513H14H214H3b2313+
methyl3(25dimethyl3((E)(3((3nitrophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)pyrrol1yl)2methylbenzoate
methyl3(25dimethyl3((E)(3(3nitrobenzyl)24dioxo13thiazolidin5ylidene)methyl)1Hpyrrol1yl)2methylbenzoate
MFCD03649488
ZINC000004092041
ZINC04092041
ZINC4092041
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