Vitas-M small molecule compound
methyl 2-[(2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylcarbonyl)amino]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Catalog ID
STL407972
SMILES COC(=O)c1nc(sc1C(C)C)NC(=O)c1[nH]nc2c1CCCCC2
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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 C17H22N4O3S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O3S/c1-9(2)14-13(16(23)24-3)18-17(25-14)19-15(22)12-10-7-5-4-6-8-11(10)20-21-12/h9H,4-8H2,1-3H3,(H,20,21)(H,18,19,22)InChIKey
BYCSSKQCUGZBST-UHFFFAOYSA-NSynonyms
1574303-82-41574303824
CC(C)C1=C(N=C(S1)NC(=O)C2=NNC3=C2CCCCC3)C(=O)OC
COC(=O)c1nc(sc1C(C)C)NC(=O)c1(nH)nc2c1CCCCC2
COC(=O)c1nc(sc1C(C)C)NC(=O)c1n(nH)c2c1CCCCC2
InChI=1SC17H22N4O3Sc19(2)1413(16(23)243)1817(2514)1915(22)12107546811(10)202112h9H48H213H3(H2021)(H181922)
methyl2((245678hexahydrocyclohepta(c)pyrazol3ylcarbonyl)amino)5(propan2yl)13thiazole4carboxylate
methyl2(145678hexahydrocyclohepta(c)pyrazole3carbonylamino)5propan2yl13thiazole4carboxylate
methyl2(145678hexahydrocyclohepta(c)pyrazole3carboxamido)5isopropylthiazole4carboxylate
MFCD30704991
ZINC000096232318
ZINC96232318
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