Vitas-M small molecule compound
2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK779874
SMILES COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1scc(c1)CN1CCOCC1)N
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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 C28H32N4O3S MW 504.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O3S/c1-28(2)13-22-26(23(33)14-28)25(24-12-18(17-36-24)16-31-8-10-35-11-9-31)21(15-29)27(30)32(22)19-4-6-20(34-3)7-5-19/h4-7,12,17,25H,8-11,13-14,16,30H2,1-3H3InChIKey
XMCRVJNPJHODJK-UHFFFAOYSA-NSynonyms
2amino1(4methoxyphenyl)77dimethyl4(4(morpholin4ylmethyl)thiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4METHOXYPHENYL)77DIMETHYL4(4(MORPHOLIN4YLMETHYL)THIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)OC)N)C#N)C4=CC(=CS4)CN5CCOCC5)C(=O)C1)C
InChI=1SC28H32N4O3Sc128(2)132226(23(33)1428)25(241218(173624)16318103511931)21(1529)27(30)32(22)194620(343)7519h47121725H81113141630H213H3
MFCD05859410
ZINC000012402310
ZINC000019873869
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