Vitas-M small molecule compound
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-chloro-5-methylphenoxy)methyl]-1H-pyrazole-3-carboxamide
Catalog ID
STL403175
SMILES Cc1ccc(c(c1)OCn1ccc(n1)C(=O)Nc1sc2c(c1C(=O)N)CCCC2)Cl
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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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-12-6-7-14(22)16(10-12)29-11-26-9-8-15(25-26)20(28)24-21-18(19(23)27)13-4-2-3-5-17(13)30-21/h6-10H,2-5,11H2,1H3,(H2,23,27)(H,24,28)InChIKey
NLERCGDPEOFRKB-UHFFFAOYSA-NSynonyms
1005620-78-91005620789
CC1=CC(=C(C=C1)Cl)OCN2C=CC(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N
InChI=1SC21H21ClN4O3Sc1126714(22)16(1012)2911269815(2526)20(28)242118(19(23)27)13423517(13)3021h610H2511H21H3(H22327)(H2428)
MFCD04132672
N(3carbamoyl4567tetrahydro1benzothiophen2yl)1((2chloro5methylphenoxy)methyl)1Hpyrazole3carboxamide
N(3carbamoyl4567tetrahydro1benzothiophen2yl)1((2chloro5methylphenoxy)methyl)pyrazole3carboxamide
ZINC000002798188
ZINC02798188
ZINC2798188
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