Vitas-M small molecule compound
2-methoxy-4-(pyrrolidin-1-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
Catalog ID
STK055142
SMILES COc1cc(ccc1OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)C(=S)N1CCCC1
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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 C19H17ClN2O5S MW 420.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O5S/c1-26-17-11-12(18(28)21-8-2-3-9-21)5-7-16(17)27-19(23)13-4-6-14(20)15(10-13)22(24)25/h4-7,10-11H,2-3,8-9H2,1H3InChIKey
WCZMVDKXRGSRDN-UHFFFAOYSA-NSynonyms
(2METHOXY4(PYRROLIDINE1CARBOTHIOYL)PHENYL)4CHLORO3NITROBENZOATE
2METHOXY4(PYRROLIDIN1YLCARBONOTHIOYL)PHENYL4CHLORO3NITROBENZOATE
COC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=S)N1CCCC1
InChI=1SC19H17ClN2O5Sc126171112(18(28)21823921)5716(17)2719(23)134614(20)15(1013)22(24)25h471011H2389H21H3
MFCD02904275
STK055142
ZINC000009435027
ZINC09435027
ZINC9435027
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