Vitas-M small molecule compound
3-tert-butyl-N-[(2E)-3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Catalog ID
STL315752
SMILES O=C(c1cnc2n(c1=O)c(cs2)C(C)(C)C)/N=c\1/sc2c([nH]1)CCCCC2
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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 C19H22N4O2S2 MW 402.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O2S2/c1-19(2,3)14-10-26-18-20-9-11(16(25)23(14)18)15(24)22-17-21-12-7-5-4-6-8-13(12)27-17/h9-10H,4-8H2,1-3H3,(H,21,22,24)InChIKey
NNCBECNWGNWQGM-UHFFFAOYSA-NSynonyms
1401601-90-81401601908
3tertbutyl5oxoN(5678tetrahydro4Hcyclohepta(d)(13)thiazol2yl)(13)thiazolo(32a)pyrimidine6carboxamide
3tertbutylN((2E)345678hexahydro2Hcyclohepta(d)(13)thiazol2ylidene)5oxo5H(13)thiazolo(32a)pyrimidine6carboxamide
CC(C)(C)C1=CSC2=NC=C(C(=O)N12)C(=O)NC3=NC4=C(S3)CCCCC4
InChI=1SC19H22N4O2S2c119(23)1410261820911(16(25)23(14)18)15(24)221721127546813(12)2717h910H48H213H3(H212224)
MFCD28027439
O=C(c1cnc2n(c1=O)c(cs2)C(C)(C)C)N=c1sc2c((nH)1)CCCCC2
ZINC000079481862
ZINC79481862
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