Vitas-M small molecule compound
(5Z)-5-(4-tert-butylbenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL418735
SMILES S=C1S/C(=C\c2ccc(cc2)C(C)(C)C)/C(=O)N1c1ccc(cc1)[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 C20H18N2O3S2 MW 398.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O3S2/c1-20(2,3)14-6-4-13(5-7-14)12-17-18(23)21(19(26)27-17)15-8-10-16(11-9-15)22(24)25/h4-12H,1-3H3/b17-12-InChIKey
IGOSWUFTXBTKQW-ATVHPVEESA-NSynonyms
(5Z)5((4TERTBUTYLPHENYL)METHYLIDENE)3(4NITROPHENYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(4tertbutylbenzylidene)3(4nitrophenyl)2thioxo13thiazolidin4one
CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H18N2O3S2c120(23)146413(5714)121718(23)21(19(26)2717)1581016(11915)22(24)25h412H13H3b1712
MFCD02627786
S=C1SC(=Cc2ccc(cc2)C(C)(C)C)C(=O)N1c1ccc(cc1)(N+)(=O)(O)
ZINC000033906498
ZINC33906498
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