Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK157560
SMILES C=CCN1C(=S)S/C(=C\c2cc(n(c2C)c2cccc(c2)[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 C19H17N3O3S2 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S2/c1-4-8-20-18(23)17(27-19(20)26)10-14-9-12(2)21(13(14)3)15-6-5-7-16(11-15)22(24)25/h4-7,9-11H,1,8H2,2-3H3/b17-10-InChIKey
CUEQMFRODZCHDF-YVLHZVERSA-NSynonyms
(5Z)5((25DIMETHYL1(3NITROPHENYL)1HPYRROL3YL)METHYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
(5Z)5((25DIMETHYL1(3NITROPHENYL)PYRROL3YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(n(c2C)c2cccc(c2)(N+)(=O)(O))C)C1=O
CC1=CC(=C(N1C2=CC(=CC=C2)(N+)(=O)(O))C)C=C3C(=O)N(C(=S)S3)CC=C
InChI=1SC19H17N3O3S2c1482018(23)17(2719(20)26)1014912(2)21(13(14)3)1565716(1115)22(24)25h47911H18H223H3b1710
MFCD02637460
ZINC000013546633
ZINC13546633
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