Vitas-M small molecule compound
8-[4-(acetylamino)-3-methylbutyl]-4a,6a,7-trimethyl-2,3,4,4a,4b,5,6,6a,11,11a,11b,12-dodecahydro-1H-naphtho[2',1':4,5]indeno[2,1-c]pyridazin-2-yl acetate
Catalog ID
STK366227
SMILES CC(CCc1nnc2c(c1C)C1(C)CCC3C(C1C2)CC=C1C3(C)CCC(C1)OC(=O)C)CNC(=O)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 C31H45N3O3 MW 507.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45N3O3/c1-18(17-32-20(3)35)7-10-27-19(2)29-28(34-33-27)16-26-24-9-8-22-15-23(37-21(4)36)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18,23-26H,7,9-17H2,1-6H3,(H,32,35)InChIKey
MNWSPEJGVNYUQL-UHFFFAOYSA-NSynonyms
(6aR8aS)10(4acetamido3methylbutyl)6a8a9trimethyl34566a6b788a1313a13bdodecahydro1Hnaphtho(2145)indeno(21c)pyridazin4ylacetate
8(4(acetylamino)3methylbutyl)4a6a7trimethyl2344a4b566a1111a11b12dodecahydro1Hnaphtho(2145)indeno(21c)pyridazin2ylacetate
CC(CCc1nnc2c(c1C)(C@@)1(C)CCC3C(C1C2)CC=C1(C@)3(C)CCC(C1)OC(=O)C)CNC(=O)C
CC1=C2C(=NN=C1CCC(C)CNC(=O)C)CC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C
InChI=1SC31H45N3O3c118(173220(3)35)7102719(2)2928(343327)16262498221523(3721(4)36)111330(225)25(24)121431(2629)6h8182326H7917H216H3(H3235)
MFCD00317338
ZINC000239159642
ZINC000239159645
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