Vitas-M small molecule compound
N-{(1E)-2-chloro-1-[2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]tetrahydropyrimidin-1(2H)-yl]ethylidene}-4-methylbenzenesulfonamide
Catalog ID
STK277212
SMILES COc1ccc(cc1)C1N(CCCN1S(=O)(=O)c1ccc(cc1)C)/C(=N/S(=O)(=O)c1ccc(cc1)C)/CCl
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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 C27H30ClN3O5S2 MW 576.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClN3O5S2/c1-20-5-13-24(14-6-20)37(32,33)29-26(19-28)30-17-4-18-31(27(30)22-9-11-23(36-3)12-10-22)38(34,35)25-15-7-21(2)8-16-25/h5-16,27H,4,17-19H2,1-3H3/b29-26+InChIKey
QPBBRJLGYGCITC-PBBVDAKRSA-NSynonyms
(NE)N(2chloro1(2(4methoxyphenyl)3(4methylphenyl)sulfonyl13diazinan1yl)ethylidene)4methylbenzenesulfonamide
CC1=CC=C(C=C1)S(=O)(=O)N=C(CCl)N2CCCN(C2C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)C
COc1ccc(cc1)C1N(CCCN1S(=O)(=O)c1ccc(cc1)C)C(=NS(=O)(=O)c1ccc(cc1)C)CCl
InChI=1SC27H30ClN3O5S2c12051324(14620)37(3233)2926(1928)301741831(27(30)2291123(363)121022)38(3435)2515721(2)81625h51627H41719H213H3b2926+
MFCD09164166
N((1E)2chloro1(2(4methoxyphenyl)3((4methylphenyl)sulfonyl)tetrahydropyrimidin1(2H)yl)ethylidene)4methylbenzenesulfonamide
ZINC000097962086
ZINC000097962087
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