Vitas-M small molecule compound
methyl (2Z)-5-(2-methylpropyl)-2-({[3-(pyrimidin-2-ylamino)phenyl]carbonyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL310471
SMILES COC(=O)c1[nH]/c(=N/C(=O)c2cccc(c2)Nc2ncccn2)/sc1CC(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 C20H21N5O3S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3S/c1-12(2)10-15-16(18(27)28-3)24-20(29-15)25-17(26)13-6-4-7-14(11-13)23-19-21-8-5-9-22-19/h4-9,11-12H,10H2,1-3H3,(H,21,22,23)(H,24,25,26)InChIKey
HKWWYZFLZWKYCW-UHFFFAOYSA-NSynonyms
1435979-42-21435979422
CC(C)CC1=C(N=C(S1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)c2cccc(c2)Nc2ncccn2)sc1CC(C)C
InChI=1SC20H21N5O3Sc112(2)101516(18(27)283)2420(2915)2517(26)1364714(1113)2319218592219h491112H10H213H3(H212223)(H242526)
methyl(2Z)5(2methylpropyl)2(((3(pyrimidin2ylamino)phenyl)carbonyl)imino)23dihydro13thiazole4carboxylate
methyl5(2methylpropyl)2((3(pyrimidin2ylamino)benzoyl)amino)13thiazole4carboxylate
MFCD28025543
ZINC000095473362
ZINC95473362
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