Vitas-M small molecule compound
N-{6-tert-butyl-3-[(2,4-dimethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
Catalog ID
STK445512
SMILES COc1cc(OC)ccc1NC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1c(Cl)cnn1C
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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 C26H31ClN4O4S MW 531.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN4O4S/c1-26(2,3)14-7-9-16-20(11-14)36-25(30-24(33)22-17(27)13-28-31(22)4)21(16)23(32)29-18-10-8-15(34-5)12-19(18)35-6/h8,10,12-14H,7,9,11H2,1-6H3,(H,29,32)(H,30,33)InChIKey
VYJSSKKKTMLLEM-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=C(C=C3)OC)OC)NC(=O)C4=C(C=NN4C)Cl
InChI=1SC26H31ClN4O4Sc126(23)14791620(1114)3625(3024(33)2217(27)132831(22)4)21(16)23(32)291810815(345)1219(18)356h8101214H7911H216H3(H2932)(H3033)
MFCD04058178
N(6tertbutyl3((24dimethoxyphenyl)carbamoyl)4567tetrahydro1benzothiophen2yl)4chloro1methyl1Hpyrazole5carboxamide
N(6tertbutyl3((24dimethoxyphenyl)carbamoyl)4567tetrahydro1benzothiophen2yl)4chloro2methylpyrazole3carboxamide
ZINC000020467891
ZINC000020467892
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