Vitas-M small molecule compound

N-(1-{[(5E)-1,2,3,4,10,11-hexahydro-5H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-ylideneamino]oxy}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide

Catalog ID
STK621057
SMILES O=C(C(NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)O/N=c\1/oc2cc3OC4(CCCCC4)CCc3cc2c2c1CCCC2

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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 C37H40N2O6S MW 640.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H40N2O6S/c1-25-14-16-28(17-15-25)46(41,42)39-32(22-26-10-4-2-5-11-26)36(40)45-38-35-30-13-7-6-12-29(30)31-23-27-18-21-37(19-8-3-9-20-37)44-33(27)24-34(31)43-35/h2,4-5,10-11,14-17,23-24,32,39H,3,6-9,12-13,18-22H2,1H3/b38-35+
InChIKey
XRXBREPYXQLUCB-OBEQGSJMSA-N
Synonyms

((E)spiro(12341011hexahydroisochromeno(43g)chromene91cyclohexane)5ylideneamino)2((4methylphenyl)sulfonylamino)3phenylpropanoate
(E)4methylN(1oxo3phenyl1(((341011tetrahydro1Hspiro(benzo(c)pyrano(32g)chromene91cyclohexan)5(2H)ylidene)amino)oxy)propan2yl)benzenesulfonamide
CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)ON=C3C4=C(CCCC4)C5=CC6=C(C=C5O3)OC7(CCCCC7)CC6
InChI=1SC37H40N2O6Sc125141628(171525)46(4142)3932(2226104251126)36(40)4538353013761229(30)312327182137(198392037)4433(27)2434(31)4335h2451011141723243239H36912131822H21H3b3835+
N(1(((5E)12341011hexahydro5Hspiro(benzo(c)pyrano(32g)chromene91cyclohexan)5ylideneamino)oxy)1oxo3phenylpropan2yl)4methylbenzenesulfonamide
O=C(C(NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)ON=c1oc2cc3OC4(CCCCC4)CCc3cc2c2c1CCCC2
ZINC000150400263
ZINC000150400267

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Available files

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