Vitas-M small molecule compound
N-[2-({[(8'E)-6'-butyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene]amino}oxy)-2-oxo-1-phenylethyl]-4-methylbenzenesulfonamide
Catalog ID
STK627342
SMILES CCCCc1c/c(=N\OC(=O)C(c2ccccc2)NS(=O)(=O)c2ccc(cc2)C)/oc2c1cc1CCC3(Oc1c2)CCCCC3
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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 C36H40N2O6S MW 628.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40N2O6S/c1-3-4-11-27-23-33(42-32-24-31-28(22-30(27)32)18-21-36(43-31)19-9-6-10-20-36)37-44-35(39)34(26-12-7-5-8-13-26)38-45(40,41)29-16-14-25(2)15-17-29/h5,7-8,12-17,22-24,34,38H,3-4,6,9-11,18-21H2,1-2H3/b37-33+InChIKey
XEGDQNXNRMIFSG-LAWMERGMSA-NSynonyms
((E)(6butylspiro(34dihydropyrano(32g)chromene21cyclohexane)8ylidene)amino)2((4methylphenyl)sulfonylamino)2phenylacetate
(E)N(2(((6butyl3Hspiro(cyclohexane12pyrano(32g)chromen)8(4H)ylidene)amino)oxy)2oxo1phenylethyl)4methylbenzenesulfonamide
CCCCC1=CC(=NOC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C)OC4=CC5=C(CCC6(O5)CCCCC6)C=C14
CCCCc1cc(=NOC(=O)C(c2ccccc2)NS(=O)(=O)c2ccc(cc2)C)oc2c1cc1CCC3(Oc1c2)CCCCC3
InChI=1SC36H40N2O6Sc13411272333(4232243128(2230(27)32)182136(4331)1996102036)374435(39)34(26127581326)3845(4041)29161425(2)151729h578121722243438H3469111821H212H3b3733+
N(2((((8E)6butyl34dihydro8Hspiro(cyclohexane12pyrano(32g)chromen)8ylidene)amino)oxy)2oxo1phenylethyl)4methylbenzenesulfonamide
ZINC000101484550
ZINC000101484551
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