Vitas-M small molecule compound
2-amino-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683450
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccc(cc2)C)C2=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 C30H31N5O3S2 MW 573.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O3S2/c1-17-9-11-18(12-10-17)16-39-29-34-33-28(40-29)35-21-13-30(2,3)14-22(36)25(21)24(20(15-31)27(35)32)19-7-6-8-23(37-4)26(19)38-5/h6-12,24H,13-14,16,32H2,1-5H3InChIKey
KCHNWJLOGFFJRD-UHFFFAOYSA-NSynonyms
2amino4(23dimethoxyphenyl)77dimethyl1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(23DIMETHOXYPHENYL)77DIMETHYL1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=C(C(=CC=C5)OC)OC)C(=O)CC(C4)(C)C
InChI=1SC30H31N5O3S2c11791118(121017)163929343328(4029)35211330(23)1422(36)25(21)24(20(1531)27(35)32)1976823(374)26(19)385h61224H13141632H215H3
MFCD05257875
ZINC000098006085
ZINC000098006086
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