Vitas-M small molecule compound
methyl [(5Z)-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Catalog ID
STK152235
SMILES COC(=O)CN1C(=O)S/C(=C\c2cc(n(c2C)c2ccc(cc2)[N+](=O)[O-])C)/C1=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 C19H17N3O6S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O6S/c1-11-8-13(9-16-18(24)20(19(25)29-16)10-17(23)28-3)12(2)21(11)14-4-6-15(7-5-14)22(26)27/h4-9H,10H2,1-3H3/b16-9-InChIKey
WZEUNVXUTJICFF-SXGWCWSVSA-NSynonyms
CC1=CC(=C(N1C2=CC=C(C=C2)(N+)(=O)(O))C)C=C3C(=O)N(C(=O)S3)CC(=O)OC
COC(=O)CN1C(=O)SC(=Cc2cc(n(c2C)c2ccc(cc2)(N+)(=O)(O))C)C1=O
InChI=1SC19H17N3O6Sc111813(91618(24)20(19(25)2916)1017(23)283)12(2)21(11)144615(7514)22(26)27h49H10H213H3b169
METHYL((5Z)5((25DIMETHYL1(4NITROPHENYL)1HPYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
METHYL2((5Z)5((25DIMETHYL1(4NITROPHENYL)PYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
MFCD03993025
ZINC000001135315
ZINC01135315
ZINC1135315
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