Vitas-M small molecule compound
2-[2,5-dioxo-3-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-1-yl]-N-[(2Z)-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]acetamide
Catalog ID
STL245377
SMILES O=C(CN1C(=O)C(NC(=O)c2c1cccc2)C(C)C)/N=c/1\sc2c([nH]1)CCCC2
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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 C21H24N4O3S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O3S/c1-12(2)18-20(28)25(15-9-5-3-7-13(15)19(27)24-18)11-17(26)23-21-22-14-8-4-6-10-16(14)29-21/h3,5,7,9,12,18H,4,6,8,10-11H2,1-2H3,(H,24,27)(H,22,23,26)InChIKey
CDFKLCUKSYUETO-UHFFFAOYSA-NSynonyms
1401617-33-11401617331
2(25dioxo3(propan2yl)2345tetrahydro1H14benzodiazepin1yl)N((2Z)4567tetrahydro13benzothiazol2(3H)ylidene)acetamide
2(25dioxo3propan2yl34dihydro14benzodiazepin1yl)N(4567tetrahydro13benzothiazol2yl)acetamide
CC(C)C1C(=O)N(C2=CC=CC=C2C(=O)N1)CC(=O)NC3=NC4=C(S3)CCCC4
InChI=1SC21H24N4O3Sc112(2)1820(28)25(15953713(15)19(27)2418)1117(26)232122148461016(14)2921h35791218H4681011H212H3(H2427)(H222326)
MFCD24860245
O=C(CN1C(=O)C(NC(=O)c2c1cccc2)C(C)C)N=c1sc2c((nH)1)CCCC2
ZINC000079492006
ZINC000080329222
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