Vitas-M small molecule compound
4-(2,3-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL174738
SMILES COc1ccc2c(c1)sc(n2)NC(=O)C1=C(C)NC2=C(C1c1cccc(c1OC)OC)C(=O)CC(C2)(C)C
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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 C29H31N3O5S MW 533.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O5S/c1-15-23(27(34)32-28-31-18-11-10-16(35-4)12-22(18)38-28)24(17-8-7-9-21(36-5)26(17)37-6)25-19(30-15)13-29(2,3)14-20(25)33/h7-12,24,30H,13-14H2,1-6H3,(H,31,32,34)InChIKey
SFCSVQJQXPAANP-UHFFFAOYSA-NSynonyms
444932-70-14(23dimethoxyphenyl)N(6methoxy13benzothiazol2yl)277trimethyl5oxo145678hexahydroquinoline3carboxamide
4(23dimethoxyphenyl)N(6methoxy13benzothiazol2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxamide
444932701
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)OC)OC)C(=O)NC4=NC5=C(S4)C=C(C=C5)OC
InChI=1SC29H31N3O5Sc11523(27(34)32283118111016(354)1222(18)3828)24(1787921(365)26(17)376)2519(3015)1329(23)1420(25)33h7122430H1314H216H3(H313234)
MFCD03071194
ZINC000008450322
ZINC000008450323
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