Vitas-M small molecule compound
(Z)-N-(4,5-dimethyl-1,3-thiazol-2(3H)-ylidene)-N~2~-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-L-isoleucinamide
Catalog ID
STK936335
SMILES CC[C@H]([C@@H](C(=O)/N=c\1/[nH]c(c(s1)C)C)NC(=O)NC1CCS(=O)(=O)C1)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 C16H26N4O4S2 MW 402.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H26N4O4S2/c1-5-9(2)13(14(21)20-16-17-10(3)11(4)25-16)19-15(22)18-12-6-7-26(23,24)8-12/h9,12-13H,5-8H2,1-4H3,(H,17,20,21)(H2,18,19,22)/t9-,12?,13+/m1/s1InChIKey
YWMVMAVVXMXVDW-SDGSVYFJSA-NSynonyms
1212478-84-6(2S3R)N(45dimethyl13thiazol2yl)2((11dioxothiolan3yl)carbamoylamino)3methylpentanamide
(Z)N(45dimethyl13thiazol2(3H)ylidene)N~2~((11dioxidotetrahydrothiophen3yl)carbamoyl)Lisoleucinamide
(Z)N(45DIMETHYL13THIAZOL2(3H)YLIDENE)N2((11DIOXIDOTETRAHYDROTHIOPHEN3YL)CARBAMOYL)LISOLEUCINAMIDE
1212478846
CC(C@H)((C@@H)(C(=O)N=c1(nH)c(c(s1)C)C)NC(=O)NC1CCS(=O)(=O)C1)C
CCC(C)C(C(=O)NC1=NC(=C(S1)C)C)NC(=O)NC2CCS(=O)(=O)C2
InChI=1SC16H26N4O4S2c159(2)13(14(21)20161710(3)11(4)2516)1915(22)18126726(2324)812h91213H58H214H3(H172021)(H2181922)t912?13+m1s1
MFCD18178321
ZINC000036354121
ZINC000036354123
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