Vitas-M small molecule compound
methyl (2E)-2-[(4,5-dihydro-1H-benzo[g]indazol-3-ylcarbonyl)imino]-5-(propan-2-yl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL312107
SMILES COC(=O)c1[nH]/c(=N\C(=O)c2n[nH]c3c2CCc2c3cccc2)/sc1C(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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-10(2)17-16(19(26)27-3)21-20(28-17)22-18(25)15-13-9-8-11-6-4-5-7-12(11)14(13)23-24-15/h4-7,10H,8-9H2,1-3H3,(H,23,24)(H,21,22,25)InChIKey
MOYUDAUUQAZSRS-UHFFFAOYSA-NSynonyms
1435979-20-61435979206
CC(C)C1=C(N=C(S1)NC(=O)C2=C3CCC4=CC=CC=C4C3=NN2)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)c2n(nH)c3c2CCc2c3cccc2)sc1C(C)C
InChI=1SC20H20N4O3Sc110(2)1716(19(26)273)2120(2817)2218(25)15139811645712(11)14(13)232415h4710H89H213H3(H2324)(H212225)
methyl(2E)2((45dihydro1Hbenzo(g)indazol3ylcarbonyl)imino)5(propan2yl)23dihydro13thiazole4carboxylate
methyl2(45dihydro2Hbenzo(g)indazole3carbonylamino)5propan2yl13thiazole4carboxylate
MFCD28026473
ZINC000095474537
ZINC95474537
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